4-({[(4-fluorophenyl)methyl]imino}methyl)-2-(4-nitrophenyl)-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-({[(4-fluorophenyl)methyl]imino}methyl)-2-(4-nitrophenyl)-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
4-({[(4-fluorophenyl)methyl]imino}methyl)-2-(4-nitrophenyl)-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8007-3702 |
| Compound Name: | 4-({[(4-fluorophenyl)methyl]imino}methyl)-2-(4-nitrophenyl)-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 408.31 |
| Molecular Formula: | C18 H12 F4 N4 O3 |
| Smiles: | C(c1ccc(cc1)F)/N=C/C1=C(C(F)(F)F)NN(C1=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4637 |
| logD: | -2.1442 |
| logSw: | -3.5819 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.434 |
| InChI Key: | QVKQJXASHZYPBE-UHFFFAOYSA-N |